CHEBI:87541 - cyhalodiamide

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name cyhalodiamide
Definition A dicarboxylic acid diamide obtained by formal condensation of the two carboxy groups of 2-chlorophthalic acid with the amino groups of 4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-methylaniline and 2-amino-2-methylpropanenitrile.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C22H17ClF7N3O2
Net Charge 0
Average Mass 523.83100
Monoisotopic Mass 523.08975
InChI InChI=1S/C22H17ClF7N3O2/c1-11-9-12(20(24,21(25,26)27)22(28,29)30)7-8-15(11)32-17(34)13-5-4-6-14(23)16(13)18(35)33-19(2,3)10-31/h4-9H,1-3H3,(H,32,34)(H,33,35)
SMILES Cc1cc(ccc1NC(=O)c1cccc(Cl)c1C(=O)NC(C)(C)C#N)C(F)(C(F)(F)F)C(F)(F)F
Roles Classification
Application(s): insecticide
Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
An agrochemical is a substance that is used in agriculture or horticulture.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing cyhalodiamide (CHEBI:87541) has functional parent phthalic acid (CHEBI:29069)
cyhalodiamide (CHEBI:87541) has role agrochemical (CHEBI:33286)
cyhalodiamide (CHEBI:87541) has role insecticide (CHEBI:24852)
cyhalodiamide (CHEBI:87541) is a aromatic amide (CHEBI:62733)
cyhalodiamide (CHEBI:87541) is a dicarboxylic acid diamide (CHEBI:35779)
cyhalodiamide (CHEBI:87541) is a monochlorobenzenes (CHEBI:83403)
cyhalodiamide (CHEBI:87541) is a nitrile (CHEBI:18379)
cyhalodiamide (CHEBI:87541) is a organofluorine compound (CHEBI:37143)
Synonyms Sources
3-chloro-N'-(1-cyano-1-methylethyl)-N-{4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]-o-tolyl}phthalamide Alan Wood's Pesticides
lüfuqingchongxianan ChEBI
Manual Xref Database
cyhalodiamide Alan Wood's Pesticides
View more database links
Registry Number Type Source
27458446 Reaxys Registry Number Reaxys
Last Modified
18 August 2015